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Compound Detail

CHEMBL4539596

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CCc1ccccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4539596
Phase Preclinical
Structure Type MOL
InChI Key ZVOTZBNDSAQIRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
2.01
ALogP
3
HBA
3
HBD
90.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13NO4
MW 259.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
31536340 10.1021/acs.jmedchem.9b00747 Polymerase acidic protein 3

Data from ChEMBL 36 via Core Engine